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Potassium Cation → 1-(4-Bromophenethyl)-3-(3-cyano-4-(ethylsulfonyl)phenyl)-1-methylurea

HRID 183120
Notes
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Reaction equation

HRID 183120 reaction equation
[Br:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][CH2:32][NH:33][CH3:34])[cH:29][cH:30]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15]([O:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13].[C:35](=[O:36])([O-:37])[O-:38].[K+:39].[K+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15](=[O:23])[N:33]([CH2:32][CH2:31][c:28]2[cH:27][cH:26][c:25]([Br:24])[cH:30][cH:29]2)[CH3:34])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 18367556[2-(4-Bromophenyl)ethyl](methyl)amineHCID 68818495Phenyl 3-cyano-4-(ethylsulfonyl)phenylcarbamate

Product 1

HCID 68816860
1-(4-Bromophenethyl)-3-(3-cyano-4-(ethylsulfonyl)phenyl)-1-methylurea

Sources & evidence

ORD record
ord-ad425ad8738740cd8e2a3d0a2ed991cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes